4-[(4-azanyl-5-methoxy-2-methyl-phenyl)diazenyl]-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-[(4-azanyl-5-methoxy-2-methyl-phenyl)diazenyl]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-(4-amino-5-methoxy-2-methyl-phenyl)azo-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-(4-amino-5-methoxy-2-methylphenyl)azo-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-(4-amino-5-methoxy-2-methyl-phenyl)azo-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C18H17N3O8S2 MolecularWeight: 467.47288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)OC)N

Isomeric SMILES

CC1=CC(=C(C=C1N=NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)OC)N

InChI

InChI=1S/C18H17N3O8S2/c1-9-3-13(19)17(29-2)8-14(9)20-21-15-6-11(30(23,24)25)4-10-5-12(31(26,27)28)7-16(22)18(10)15/h3-8,22H,19H2,1-2H3,(H,23,24,25)(H,26,27,28)